5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C23H21FN6O2 — CID 144845027

IUPAC5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1cccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(C#N)cc2)CC3CF)c1
InChIInChI=1S/C23H21FN6O2/c1-14-3-2-4-16(9-14)21-20(22(26)31)19-13-29(12-18(10-24)30(19)28-21)23(32)27-17-7-5-15(11-25)6-8-17/h2-9,18H,10,12-13H2,1H3,(H2,26,31)(H,27,32)
InChIKeyQIAKSPAVVDDVBZ-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.39
Rot. Bonds4

About 5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 144845027) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID144845027
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCc1cccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(C#N)cc2)CC3CF)c1
InChIInChI=1S/C23H21FN6O2/c1-14-3-2-4-16(9-14)21-20(22(26)31)19-13-29(12-18(10-24)30(19)28-21)23(32)27-17-7-5-15(11-25)6-8-17/h2-9,18H,10,12-13H2,1H3,(H2,26,31)(H,27,32)
InChIKeyQIAKSPAVVDDVBZ-UHFFFAOYSA-N
XLogP3.39
TPSA117.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-7-(2-hydroxypropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118080362
(2R,6S)-11-(3-chlorophenyl)-7-N-(4-cyanophenyl)-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-7,10-dicarboxamide
CID 118085407
5-N-(4-cyanophenyl)-2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650856
1'-acetyl-2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,3'-azetidine]-3,5-dicarboxamide
CID 118085543
5-N-(4-cyano-3-methylphenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085544
7-(hydroxymethyl)-2-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 144845559
5-N-(4-cyanophenyl)-2-(2,3-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650953
2-(3-chloro-4-fluorophenyl)-5-N-(4-isocyanophenyl)-7-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 140748579
(7R)-2-(3-chlorophenyl)-5-[2-(3-fluoro-4-isocyanophenyl)acetyl]-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 159003849
5-N-(4-cyanophenyl)-2-(3-fluorophenyl)spiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-7,1'-cyclopropane]-3,5-dicarboxamide
CID 141454930
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)-6-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639736
2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061928

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 144845027) is 5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1cccc(-c2nn3c(c2C(N)=O)CN(C(=O)Nc2ccc(C#N)cc2)CC3CF)c1.
What is the InChIKey of 5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is QIAKSPAVVDDVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-14-3-2-4-16(9-14)21-20(22(26)31)19-13-29(12-18(10-24)30(19)28-21)23(32)27-17-7-5-15(11-25)6-8-17/h2-9,18H,10,12-13H2,1H3,(H2,26,31)(H,27,32).
What are the key properties of 5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-cyanophenyl)-7-(fluoromethyl)-2-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 144845027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).